2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide

C24H28N4O — CID 142792570

IUPAC2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
SMILESCc1cccc(C(CCc2cccnc2)(NCCc2ccncc2)C(N)=O)c1C
InChIInChI=1S/C24H28N4O/c1-18-5-3-7-22(19(18)2)24(23(25)29,12-8-21-6-4-13-27-17-21)28-16-11-20-9-14-26-15-10-20/h3-7,9-10,13-15,17,28H,8,11-12,16H2,1-2H3,(H2,25,29)
InChIKeyPXIZXPUNKSXZLK-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.24
Rot. Bonds9

About 2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide

2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide (PubChem CID 142792570) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
PubChem CID142792570
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
SMILESCc1cccc(C(CCc2cccnc2)(NCCc2ccncc2)C(N)=O)c1C
InChIInChI=1S/C24H28N4O/c1-18-5-3-7-22(19(18)2)24(23(25)29,12-8-21-6-4-13-27-17-21)28-16-11-20-9-14-26-15-10-20/h3-7,9-10,13-15,17,28H,8,11-12,16H2,1-2H3,(H2,25,29)
InChIKeyPXIZXPUNKSXZLK-UHFFFAOYSA-N
XLogP3.24
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142791942
2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142791977
2-(2,6-dichlorophenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792028
2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792683
2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792578
2-(4-propan-2-ylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142791845
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142791981
2-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792417
2-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792328
2-(2,6-dichlorophenyl)-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142791944
2-(3-hydroxyphenyl)-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792292
2-(4-chlorophenyl)-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792052

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide?
The IUPAC name of 2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide (CID 142792570) is 2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide?
The canonical SMILES for 2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide is Cc1cccc(C(CCc2cccnc2)(NCCc2ccncc2)C(N)=O)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide?
The InChIKey is PXIZXPUNKSXZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-5-3-7-22(19(18)2)24(23(25)29,12-8-21-6-4-13-27-17-21)28-16-11-20-9-14-26-15-10-20/h3-7,9-10,13-15,17,28H,8,11-12,16H2,1-2H3,(H2,25,29).
What are the key properties of 2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide?
2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide has a molecular weight of 388.52 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide is sourced from PubChem (CID 142792570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).